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Title: Metal-insulator transition in quasi-one-dimensional HfTe3 in the few-chain limit

Journal Article · · Physical Review B
 [1];  [1];  [1];  [2];  [2];  [1];  [1]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. The Molecular Foundry, Berkeley, CA (United States)

The quasi-one-dimensional linear chain compound HfTe3 is experimentally and theoretically explored in the few- to single-chain limit. Confining the material within the hollow core of carbon nanotubes allows isolation of the chains and prevents the rapid oxidation which plagues even bulk HfTe3. High-resolution transmission electron microscopy coupled with density functional theory calculations reveals that, once the triple-chain limit is reached, the normally parallel chains spiral about each other, and simultaneously a short-wavelength trigonal anti-prismatic rocking distortion occurs that opens a significant energy gap. This ends in a size-driven metal-insulator transition.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
Grant/Contract Number:
AC02-05CH11231; AC02-05-CH11231
OSTI ID:
1503672
Alternate ID(s):
OSTI ID: 1546425
Journal Information:
Physical Review B, Vol. 100, Issue 4; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

References (16)

Generalized Gradient Approximation Made Simple journal October 1996
Self-consistent treatment of spin-orbit coupling in solids using relativistic fully separable ab initio pseudopotentials journal July 2001
Efficacious Form for Model Pseudopotentials journal May 1982
Coexistence of superconductivity and charge-density wave in the quasi-one-dimensional material HfTe3 journal March 2017
Preparation, structure and properties of transition metal trichalcogenides journal January 1992
Relativistic norm-conserving pseudopotential journal March 1980
Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal January 2006
Self-consistent pseudopotential method for localized configurations: Molecules journal December 1975
Torsional instability in the single-chain limit of a transition metal trichalcogenide journal July 2018
Van der Waals heterostructures journal July 2013
The SIESTA method for ab initio order- N materials simulation journal March 2002
The Non-metal Rich Region of the Hf-Te System. journal January 1971
On the Properties of Compounds with the ZrSe3 Type Structure. journal January 1972
Group IVB transition metal trichalcogenides: a new class of 2D layered materials beyond graphene: Group IVB transition metal trichalcogenides journal January 2016
Anisotropic multichain nature and filamentary superconductivity in the charge density wave system HfTe 3 journal November 2017
Efficient pseudopotentials for plane-wave calculations journal January 1991

Cited By (1)

Electrically Driven Dynamics of Few‐Chain NbSe 3 journal August 2019

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